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BioLiP

PDB CCD ID: ST4
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N4 O3
InChI: InChI=1S/C10H14N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4,10,14H,11-12H2,1H3,(H,13,15)(H,16,17)
InChIKey: HIXHCUDMJUERSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)Nc1ccc(cc1NC(N)N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O
ACDLabs 10.04O=C(O)c1cc(NC(N)N)c(cc1)NC(=O)C
Name:4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID
DrugBank: DB03342
ZINC: ZINC000019328706
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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